![CAS 90482-42-1 2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90482-42-1.gif)
CAS RN: 90482-42-1
2-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS90482-42-1
- Purity/Analytical Methods: >99.0%
90482-42-1 / ethyl 2-oxabicyclo[3.1.0]hexane-6-carboxylate
Basic Information
CAS
90482-42-1
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c1-2-10-8(9)6-5-3-4-11-7(5)6/h5-7H,2-4H2,1H3
InChIKey
WPWZXGZTADPNQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.97
TPSA
35.53
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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